Information card for entry 1507331

Structure parameters

• Formula: C32 H23 N O3
• Calculated formula: C32 H23 N O3
• SMILES: n1cccc2c(ccc(c12)OC(=O)OC(C)(C)C)C#Cc1ccc2ccc3cccc4ccc1c2c34
• Title of publication: Emission color tuning in AlQ3 complexes with extended conjugated chromophores.
• Authors of publication: Pohl, Radek; Anzenbacher, Jr, Pavel
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 16
• Pages of publication: 2769 - 2772
• a: 14.851 ± 0.0002 Å
• b: 10.259 ± 0.0002 Å
• c: 17.072 ± 0.0003 Å
• α: 90°
• β: 111.471 ± 0.0006°
• γ: 90°
• Cell volume: 2420.52 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No